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Home > Imidazoles > 175137-63-0
175137-63-0 | Acetonitrile, 2-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-
CAS No: 175137-63-0 Catalog No: AG0020CF MDL No:
Product Description
Catalog Number:
AG0020CF
Chemical Name:
Acetonitrile, 2-[(1-methyl-1H-imidazol-2-yl)sulfonyl]-
CAS Number:
175137-63-0
Molecular Formula:
C6H7N3O2S
Molecular Weight:
185.2037
IUPAC Name:
2-(1-methylimidazol-2-yl)sulfonylacetonitrile
InChI:
InChI=1S/C6H7N3O2S/c1-9-4-3-8-6(9)12(10,11)5-2-7/h3-4H,5H2,1H3
InChI Key:
OYILDXVDUGFESJ-UHFFFAOYSA-N
SMILES:
N#CCS(=O)(=O)c1nccn1C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.201g/mol
Monoisotopic Mass:
185.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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